CID 21629254

875-63-8

Structural Information

Molecular Formula

C₁₀H₁₉N

SMILES

CN1CCC[C@@H]2[C@@H]1CCCC2

InChI

InChI=1S/C10H19N/c1-11-8-4-6-9-5-2-3-7-10(9)11/h9-10H,2-8H2,1H3/t9-,10+/m1/s1

InChIKey

AAARTTJTRNAYHQ-ZJUUUORDSA-N

Compound name

(4aR,8aS)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 153.15175 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	154.159026	135.7
[M+Na]+	176.140968	139.8
[M-H]-	152.144474	137.3
[M+NH4]+	171.185573	156.3
[M+K]+	192.114908	137.9
[M+H-H2O]+	136.149010	129.0
[M+HCOO]-	198.149951	151.2
[M+CH3COO]-	212.165601	177.4
[M+Na-2H]-	174.126416	140.7
[M]+	153.15120142	128.3
[M]-	153.15229858	128.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe